2-[cyclopentyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid

C13H22N2O3 — CID 63141423

IUPAC2-[cyclopentyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid
SMILESCC1(C(=O)N(CC(=O)O)C2CCCC2)CCNC1
InChIInChI=1S/C13H22N2O3/c1-13(6-7-14-9-13)12(18)15(8-11(16)17)10-4-2-3-5-10/h10,14H,2-9H2,1H3,(H,16,17)
InChIKeyHBWFIAGCYYOPKS-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.84
Rot. Bonds4

About 2-[cyclopentyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid

2-[cyclopentyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid (PubChem CID 63141423) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[cyclopentyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid
PubChem CID63141423
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[cyclopentyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid
SMILESCC1(C(=O)N(CC(=O)O)C2CCCC2)CCNC1
InChIInChI=1S/C13H22N2O3/c1-13(6-7-14-9-13)12(18)15(8-11(16)17)10-4-2-3-5-10/h10,14H,2-9H2,1H3,(H,16,17)
InChIKeyHBWFIAGCYYOPKS-UHFFFAOYSA-N
XLogP0.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopentyl-(3-ethylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63141424
N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methylpiperidine-4-carboxamide
CID 55178323
N-cyclopropyl-N-(2-methoxyethyl)-3-methylpyrrolidine-3-carboxamide
CID 63143850
2-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63142548
N-(cyclopentylmethyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 63657339
ethyl 2-[cyclopropyl-(3-methylpiperidine-3-carbonyl)amino]acetate
CID 63131815
N-cyclobutyl-N,3-dimethylpiperidine-3-carboxamide
CID 115747528
2-(N-(3-methylpyrrolidine-3-carbonyl)anilino)acetic acid
CID 63141819
N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide
CID 55165151
N-cyclopropyl-N-(2-hydroxyethyl)-4-methylpiperidine-4-carboxamide
CID 63121935
2-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]-2-methylpropanoic acid
CID 55164584
N,3-dimethyl-N-(oxan-4-yl)pyrrolidine-3-carboxamide
CID 63139219

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid (CID 63141423) is 2-[cyclopentyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid is CC1(C(=O)N(CC(=O)O)C2CCCC2)CCNC1.
What is the InChIKey of 2-[cyclopentyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid?
The InChIKey is HBWFIAGCYYOPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-13(6-7-14-9-13)12(18)15(8-11(16)17)10-4-2-3-5-10/h10,14H,2-9H2,1H3,(H,16,17).
What are the key properties of 2-[cyclopentyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid?
2-[cyclopentyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid has a molecular weight of 254.33 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 63141423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).